[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-(3-azanyl-4-cyano-phenyl)-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-(3-azanyl-4-cyano-phenyl)-3-methyl-4-oxidanylidene-butanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-(3-amino-4-cyano-phenyl)-3-methyl-4-oxo-butanoate CAS Name: 4-(3-amino-4-cyanophenyl)-3-methyl-4-oxobutanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-(3-amino-4-cyanophenyl)-3-methyl-4-oxobutanoate Traditional Name: 4-(3-amino-4-cyano-phenyl)-4-keto-3-methyl-butyric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C)C(=O)C2=CC(=C(C=C2)C#N)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)C(=O)C2=CC(=C(C=C2)C#N)N)C(C)C

InChI

InChI=1S/C22H30N2O3/c1-13(2)18-8-5-14(3)9-20(18)27-21(25)10-15(4)22(26)16-6-7-17(12-23)19(24)11-16/h6-7,11,13-15,18,20H,5,8-10,24H2,1-4H3/t14-,15?,18+,20-/m1/s1